N-[2-[(1R)-1-cyclopropylethyl]-1H-pyrazol-2-ium-3-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[2-[(1R)-1-cyclopropylethyl]-1H-pyrazol-2-ium-3-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-[(1R)-1-cyclopropylethyl]-1H-pyrazol-2-ium-3-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-[(1R)-1-cyclopropylethyl]-1H-pyrazol-2-ium-3-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-[(1R)-1-cyclopropylethyl]-1H-pyrazol-2-ium-3-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-[(1R)-1-cyclopropylethyl]-1H-pyrazol-2-ium-3-yl]-3-methyl-4-nitro-benzamide Formula: C16H19N4O3+ MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=[N+](NC=C2)C(C)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=[N+](NC=C2)[C@H](C)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c1-10-9-13(5-6-14(10)20(22)23)16(21)18-15-7-8-17-19(15)11(2)12-3-4-12/h5-9,11-12H,3-4H2,1-2H3,(H,17,18,21)/p+1/t11-/m1/s1