(2-oxidanylidene-2-phenylazanyl-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6/c1-26-10-9-19-15-8-7-13(11-16(15)21(24)25)18(23)27-12-17(22)20-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3,(H,20,22)