ethyl 6-nitro-4-(propan-2-ylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-nitro-4-(propan-2-ylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(isopropylamino)-6-nitro-quinolin-1-ium-3-carboxylate CAS Name: 6-nitro-4-(propan-2-ylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-nitro-4-(propan-2-ylamino)quinolin-1-ium-3-carboxylate Traditional Name: 4-(isopropylamino)-6-nitro-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C15H18N3O4+ MolecularWeight: 304.32112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-4-22-15(19)12-8-16-13-6-5-10(18(20)21)7-11(13)14(12)17-9(2)3/h5-9H,4H2,1-3H3,(H,16,17)/p+1