[(2R,3R,4R,5R)-5-(3,4-diaminocarbonyl-2-nitro-pyrrol-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-5-(3,4-diaminocarbonyl-2-nitro-pyrrol-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(3,4-dicarbamoyl-2-nitro-pyrrol-1-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(3,4-dicarbamoyl-2-nitro-1-pyrrolyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(3,4-dicarbamoyl-2-nitropyrrol-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(3,4-dicarbamoyl-2-nitro-pyrrol-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C32H26N4O11 MolecularWeight: 642.56904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=C(C(=C3[N+](=O)[O-])C(=O)N)C(=O)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=C3[N+](=O)[O-])C(=O)N)C(=O)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H26N4O11/c33-26(37)21-16-35(28(36(42)43)23(21)27(34)38)29-25(47-32(41)20-14-8-3-9-15-20)24(46-31(40)19-12-6-2-7-13-19)22(45-29)17-44-30(39)18-10-4-1-5-11-18/h1-16,22,24-25,29H,17H2,(H2,33,37)(H2,34,38)/t22-,24-,25-,29-/m1/s1