[2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[3-(ethylcarbamoyl)anilino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-[3-(ethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7/c1-3-21-19(25)13-6-5-7-15(10-13)22-18(24)12-30-20(26)14-8-9-17(29-4-2)16(11-14)23(27)28/h5-11H,3-4,12H2,1-2H3,(H,21,25)(H,22,24)