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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-nitro-4-phenylazanyl-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5/c25-20(23-17-9-5-2-6-10-17)14-29-21(26)15-11-12-18(19(13-15)24(27)28)22-16-7-3-1-4-8-16/h1-13,22H,14H2,(H,23,25)