[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5/c1-12-2-7-15(16(8-12)23(26)27)21-17(24)9-28-18(25)13-3-5-14(6-4-13)22-11-19-10-20-22/h2-8,10-11H,9H2,1H3,(H,21,24)