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

Systemtic Name: ethyl 4-[(4-chlorophenyl)methylamino]-6-nitro-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methylamino]-6-nitro-quinolin-1-ium-3-carboxylate CAS Name: 4-[(4-chlorophenyl)methylamino]-6-nitro-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methylamino]-6-nitroquinolin-1-ium-3-carboxylate Traditional Name: 4-[(4-chlorobenzyl)amino]-6-nitro-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H17ClN3O4+ MolecularWeight: 386.80898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O4/c1-2-27-19(24)16-11-21-17-8-7-14(23(25)26)9-15(17)18(16)22-10-12-3-5-13(20)6-4-12/h3-9,11H,2,10H2,1H3,(H,21,22)/p+1