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

Systemtic Name: N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(2-ethylanilino)-2-oxo-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(2-ethylanilino)-2-oxoethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(2-ethylanilino)-2-oxoethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(2-ethylanilino)-2-keto-ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4/c1-2-13-5-3-4-6-15(13)23-18(26)10-21-19(27)14-7-8-16(17(9-14)25(28)29)24-12-20-11-22-24/h3-9,11-12H,2,10H2,1H3,(H,21,27)(H,23,26)