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

Systemtic Name: 3-nitro-N-[(2R)-4-phenylbutan-2-yl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[(2R)-4-phenylbutan-2-yl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-[(2R)-4-phenylbutan-2-yl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[(1R)-1-methyl-3-phenyl-propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c1-14(7-8-15-5-3-2-4-6-15)22-19(25)16-9-10-17(18(11-16)24(26)27)23-13-20-12-21-23/h2-6,9-14H,7-8H2,1H3,(H,22,25)/t14-/m1/s1