[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-nitro-4-phenylazanyl-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5/c1-12(2)19-17(22)11-26-18(23)13-8-9-15(16(10-13)21(24)25)20-14-6-4-3-5-7-14/h3-10,12,20H,11H2,1-2H3,(H,19,22)