(2-nitrophenyl)methyl 2-azanyl-6-[[3-azanyl-2-[(2-nitrophenyl)methoxycarbonyl]phenyl]methyl]benzoate

Systemtic Name: (2-nitrophenyl)methyl 2-azanyl-6-[[3-azanyl-2-[(2-nitrophenyl)methoxycarbonyl]phenyl]methyl]benzoate Openeye Name: (2-nitrophenyl)methyl 2-amino-6-[[3-amino-2-[(2-nitrophenyl)methoxycarbonyl]phenyl]methyl]benzoate CAS Name: 2-amino-6-[[3-amino-2-[(2-nitrophenyl)methoxy-oxomethyl]phenyl]methyl]benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-amino-6-[[3-amino-2-[(2-nitrophenyl)methoxycarbonyl]phenyl]methyl]benzoate Traditional Name: 2-amino-6-[3-amino-2-(2-nitrobenzyl)oxycarbonyl-benzyl]benzoic acid (2-nitrobenzyl) ester Formula: C29H24N4O8 MolecularWeight: 556.52286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=C(C=CC=C2N)CC3=C(C(=CC=C3)N)C(=O)OCC4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=C(C=CC=C2N)CC3=C(C(=CC=C3)N)C(=O)OCC4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H24N4O8/c30-22-11-5-9-18(26(22)28(34)40-16-20-7-1-3-13-24(20)32(36)37)15-19-10-6-12-23(31)27(19)29(35)41-17-21-8-2-4-14-25(21)33(38)39/h1-14H,15-17,30-31H2