[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-[3-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-[3-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C19H16ClN3O6 MolecularWeight: 417.79984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN3O6/c20-12-4-7-16(23(27)28)15(9-12)19(26)29-10-17(24)21-14-3-1-2-11(8-14)18(25)22-13-5-6-13/h1-4,7-9,13H,5-6,10H2,(H,21,24)(H,22,25)