[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(4-isopropoxycarbonylanilino)-2-keto-ethyl] ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O7/c1-11(2)29-19(25)12-3-6-14(7-4-12)21-17(23)10-28-18(24)13-5-8-15(20)16(9-13)22(26)27/h3-9,11H,10,20H2,1-2H3,(H,21,23)