ethyl 4-[(4-methylphenyl)methylamino]-6-nitro-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-[(4-methylphenyl)methylamino]-6-nitro-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-nitro-4-(p-tolylmethylamino)quinolin-1-ium-3-carboxylate CAS Name: 4-[(4-methylphenyl)methylamino]-6-nitro-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)methylamino]-6-nitroquinolin-1-ium-3-carboxylate Traditional Name: 4-[(4-methylbenzyl)amino]-6-nitro-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H20N3O4+ MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c1-3-27-20(24)17-12-21-18-9-8-15(23(25)26)10-16(18)19(17)22-11-14-6-4-13(2)5-7-14/h4-10,12H,3,11H2,1-2H3,(H,21,22)/p+1