N-[(E)-azanyl-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]benzamide

Systemtic Name: N-[(E)-azanyl-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]benzamide Openeye Name: N-[(E)-amino-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]methyl]benzamide CAS Name: N-[(E)-amino-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]methyl]benzamide IUPAC Name: N-[(E)-amino-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]benzamide Traditional Name: N-[(E)-amino-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]methyl]benzamide Formula: C18H15N5O4 MolecularWeight: 365.3428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(N)NC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(\N)/NC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O4/c1-11-15(16(19)20-17(24)12-5-3-2-4-6-12)18(25)22(21-11)13-7-9-14(10-8-13)23(26)27/h2-10H,19H2,1H3,(H,20,24)/b16-15+