[4-[4-[(4-aminophenyl)diazenyl]-3-nitro-phenyl]-4-oxidanylidene-butyl] 2-methylprop-2-enoate

Systemtic Name: [4-[4-[(4-aminophenyl)diazenyl]-3-nitro-phenyl]-4-oxidanylidene-butyl] 2-methylprop-2-enoate Openeye Name: [4-[4-(4-aminophenyl)azo-3-nitro-phenyl]-4-oxo-butyl] 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid [4-[4-(4-aminophenyl)azo-3-nitrophenyl]-4-oxobutyl] ester IUPAC Name: [4-[4-[(4-aminophenyl)diazenyl]-3-nitrophenyl]-4-oxobutyl] 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [4-[4-(4-aminophenyl)azo-3-nitro-phenyl]-4-keto-butyl] ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5/c1-13(2)20(26)29-11-3-4-19(25)14-5-10-17(18(12-14)24(27)28)23-22-16-8-6-15(21)7-9-16/h5-10,12H,1,3-4,11,21H2,2H3