butyl 4-[[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: butyl 4-[[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]amino]benzoic acid butyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O6/c1-4-5-10-30-21(26)15-6-8-16(9-7-15)22-13-20(25)23-17-12-19(29-3)18(24(27)28)11-14(17)2/h6-9,11-12,22H,4-5,10,13H2,1-3H3,(H,23,25)