methyl 2-[6-[[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]methyl]quinolin-2-yl]benzoate

Systemtic Name: methyl 2-[6-[[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]methyl]quinolin-2-yl]benzoate Openeye Name: methyl 2-[6-[[(4,6-dimethyl-3-nitro-2-pyridyl)amino]methyl]-2-quinolyl]benzoate CAS Name: 2-[6-[[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]methyl]-2-quinolinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[6-[[(4,6-dimethyl-3-nitropyridin-2-yl)amino]methyl]quinolin-2-yl]benzoate Traditional Name: 2-[6-[[(4,6-dimethyl-3-nitro-2-pyridyl)amino]methyl]-2-quinolyl]benzoic acid methyl ester Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C25H22N4O4/c1-15-12-16(2)27-24(23(15)29(31)32)26-14-17-8-10-21-18(13-17)9-11-22(28-21)19-6-4-5-7-20(19)25(30)33-3/h4-13H,14H2,1-3H3,(H,26,27)