[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H20N4O6 MolecularWeight: 424.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c1-3-30-17-8-9-18(19(12-17)25(28)29)23-20(26)13-31-21(27)15-4-6-16(7-5-15)24-14(2)10-11-22-24/h4-12H,3,13H2,1-2H3,(H,23,26)