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

Systemtic Name: 3-azanyl-5-[3-[(4-ethanoyl-2-nitro-phenyl)-methyl-amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 5-[3-(4-acetyl-N-methyl-2-nitro-anilino)propyl]-3-amino-1H-pyrazole-4-carbonitrile CAS Name: 5-[3-(4-acetyl-N-methyl-2-nitroanilino)propyl]-3-amino-1H-pyrazole-4-carbonitrile IUPAC Name: 5-[3-(4-acetyl-N-methyl-2-nitroanilino)propyl]-3-amino-1H-pyrazole-4-carbonitrile Traditional Name: 5-[3-(4-acetyl-N-methyl-2-nitro-anilino)propyl]-3-amino-1H-pyrazole-4-carbonitrile Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N(C)CCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N(C)CCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O3/c1-10(23)11-5-6-14(15(8-11)22(24)25)21(2)7-3-4-13-12(9-17)16(18)20-19-13/h5-6,8H,3-4,7H2,1-2H3,(H3,18,19,20)