N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-propyl-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-propyl-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(2-methylanilino)-2-oxo-ethyl]-3-nitro-N-propyl-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(2-methylanilino)-2-oxoethyl]-3-nitro-N-propyl-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(2-methylanilino)-2-oxoethyl]-3-nitro-N-propyl-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-keto-2-(o-toluidino)ethyl]-3-nitro-N-propyl-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c1-3-10-25(12-20(28)24-17-7-5-4-6-15(17)2)21(29)16-8-9-18(19(11-16)27(30)31)26-14-22-13-23-26/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,24,28)