methyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C18H17N5O6 MolecularWeight: 399.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6/c1-10-16(23(27)28)11(2)21(19-10)9-15(24)20-22-8-14(18(26)29-3)12-6-4-5-7-13(12)17(22)25/h4-8H,9H2,1-3H3,(H,20,24)