N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-4-(ethylamino)-3-nitro-benzamide

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-4-(ethylamino)-3-nitro-benzamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-4-(ethylamino)-3-nitro-benzamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-4-(ethylamino)-3-nitrobenzamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-4-(ethylamino)-3-nitrobenzamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-4-(ethylamino)-3-nitro-benzamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NC2=C(N(N=C2C)C3=CC=C(C=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)NC2=C(N(N=C2C)C3=CC=C(C=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-5-22-18-11-8-16(12-19(18)26(28)29)21(27)23-20-14(3)24-25(15(20)4)17-9-6-13(2)7-10-17/h6-12,22H,5H2,1-4H3,(H,23,27)