4-(methylamino)-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 4-(methylamino)-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Openeye Name: 4-(methylamino)-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide CAS Name: 4-(methylamino)-3-nitro-N-[(1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 4-(methylamino)-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 4-(methylamino)-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3/c1-19-16-8-7-14(9-17(16)23(25)26)18(24)20-10-13-11-21-22(12-13)15-5-3-2-4-6-15/h2-9,11-12,19H,10H2,1H3,(H,20,24)