[2-[[4-[(2-methoxyphenyl)diazenyl]-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[[4-[(2-methoxyphenyl)diazenyl]-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[4-(2-methoxyphenyl)azo-3-methyl-anilino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[4-(2-methoxyphenyl)azo-3-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-methoxyphenyl)diazenyl]-3-methylanilino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[4-(2-methoxyphenyl)azo-3-methyl-anilino]ethyl] ester Formula: C23H20N4O6 MolecularWeight: 448.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N=NC3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N=NC3=CC=CC=C3OC

InChI

InChI=1S/C23H20N4O6/c1-15-12-17(10-11-19(15)25-26-20-8-3-4-9-21(20)32-2)24-22(28)14-33-23(29)16-6-5-7-18(13-16)27(30)31/h3-13H,14H2,1-2H3,(H,24,28)