3-methyl-1-[[(4-nitrophenyl)amino]methyl]cyclohepta[c]pyrazol-8-one

Systemtic Name: 3-methyl-1-[[(4-nitrophenyl)amino]methyl]cyclohepta[c]pyrazol-8-one Openeye Name: 3-methyl-1-[(4-nitroanilino)methyl]cyclohepta[c]pyrazol-8-one CAS Name: 3-methyl-1-[(4-nitroanilino)methyl]-8-cyclohepta[c]pyrazolone IUPAC Name: 3-methyl-1-[(4-nitroanilino)methyl]cyclohepta[c]pyrazol-8-one Traditional Name: 3-methyl-1-[(4-nitroanilino)methyl]cyclohepta[c]pyrazol-8-one Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=CC=CC2=O)CNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C2=C1C=CC=CC2=O)CNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3/c1-11-14-4-2-3-5-15(21)16(14)19(18-11)10-17-12-6-8-13(9-7-12)20(22)23/h2-9,17H,10H2,1H3