butyl 4-[[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: butyl 4-[[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]amino]benzoic acid butyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O6/c1-3-4-11-29-20(25)14-5-7-15(8-6-14)21-13-19(24)22-17-10-9-16(23(26)27)12-18(17)28-2/h5-10,12,21H,3-4,11,13H2,1-2H3,(H,22,24)