N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-3-(2-nitroanilino)propanamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(2-nitroanilino)propanamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-3-(2-nitroanilino)propionamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H23N5O3/c1-14-8-10-17(11-9-14)25-16(3)21(15(2)24-25)23-20(27)12-13-22-18-6-4-5-7-19(18)26(28)29/h4-11,22H,12-13H2,1-3H3,(H,23,27)