propyl 4-[[3-nitro-5-[(4-propoxycarbonylphenyl)carbamoyl]phenyl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[3-nitro-5-[(4-propoxycarbonylphenyl)carbamoyl]phenyl]carbonylamino]benzoate Openeye Name: propyl 4-[[3-nitro-5-[(4-propoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate CAS Name: 4-[[[3-nitro-5-[oxo-[4-[oxo(propoxy)methyl]anilino]methyl]phenyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[3-nitro-5-[(4-propoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate Traditional Name: 4-[[3-nitro-5-[(4-propoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoic acid propyl ester Formula: C28H27N3O8 MolecularWeight: 533.52928

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)OCCC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)OCCC

InChI

InChI=1S/C28H27N3O8/c1-3-13-38-27(34)18-5-9-22(10-6-18)29-25(32)20-15-21(17-24(16-20)31(36)37)26(33)30-23-11-7-19(8-12-23)28(35)39-14-4-2/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,29,32)(H,30,33)