3-azanyl-5-[3-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(4-benzoyl-2-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-(4-benzoyl-2-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(4-benzoyl-2-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(4-benzoyl-2-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O3/c21-12-15-16(24-25-20(15)22)7-4-10-23-17-9-8-14(11-18(17)26(28)29)19(27)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,23H,4,7,10H2,(H3,22,24,25)