ethyl 3-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C24H19N3O8 MolecularWeight: 477.42296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C24H19N3O8/c1-2-33-24(30)15-9-14(10-17(11-15)27(31)32)22(28)26-19-6-4-3-5-18(19)23(29)25-16-7-8-20-21(12-16)35-13-34-20/h3-12H,2,13H2,1H3,(H,25,29)(H,26,28)