N-[(1R,2S)-2-methylcyclohexyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[(1R,2S)-2-methylcyclohexyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(1R,2S)-2-methylcyclohexyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(1R,2S)-2-methylcyclohexyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[(1R,2S)-2-methylcyclohexyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3/c1-11-4-2-3-5-13(11)19-16(22)12-6-7-14(15(8-12)21(23)24)20-10-17-9-18-20/h6-11,13H,2-5H2,1H3,(H,19,22)/t11-,13+/m0/s1