bis[(4-nitrophenyl)methyl] 3-[bis(azanyl)methylideneamino]-6-[(1-pyrrolidin-1-ylcarbonylpyrrolidin-2-yl)carbamoyl]benzene-1,2-dicarboxylate

Systemtic Name: bis[(4-nitrophenyl)methyl] 3-[bis(azanyl)methylideneamino]-6-[(1-pyrrolidin-1-ylcarbonylpyrrolidin-2-yl)carbamoyl]benzene-1,2-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 3-guanidino-6-[[1-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]carbamoyl]benzene-1,2-dicarboxylate CAS Name: 3-(diaminomethylideneamino)-6-[oxo-[[1-[oxo(1-pyrrolidinyl)methyl]-2-pyrrolidinyl]amino]methyl]benzene-1,2-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 3-(diaminomethylideneamino)-6-[[1-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]carbamoyl]benzene-1,2-dicarboxylate Traditional Name: 3-guanidino-6-[[1-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]carbamoyl]benzene-1,2-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C33H34N8O10 MolecularWeight: 702.67066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N2CCCC2NC(=O)C3=C(C(=C(C=C3)N=C(N)N)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)N2CCCC2NC(=O)C3=C(C(=C(C=C3)N=C(N)N)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H34N8O10/c34-32(35)36-25-14-13-24(29(42)37-26-4-3-17-39(26)33(45)38-15-1-2-16-38)27(30(43)50-18-20-5-9-22(10-6-20)40(46)47)28(25)31(44)51-19-21-7-11-23(12-8-21)41(48)49/h5-14,26H,1-4,15-19H2,(H,37,42)(H4,34,35,36)