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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c22-17(20-13-4-2-1-3-5-13)11-26-18(23)12-6-9-15(19-14-7-8-14)16(10-12)21(24)25/h1-6,9-10,14,19H,7-8,11H2,(H,20,22)