ethyl 6-nitro-4-(prop-2-enylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-nitro-4-(prop-2-enylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(allylamino)-6-nitro-quinolin-1-ium-3-carboxylate CAS Name: 6-nitro-4-(prop-2-enylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-nitro-4-(prop-2-enylamino)quinolin-1-ium-3-carboxylate Traditional Name: 4-(allylamino)-6-nitro-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C15H16N3O4+ MolecularWeight: 302.30524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC=C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O4/c1-3-7-16-14-11-8-10(18(20)21)5-6-13(11)17-9-12(14)15(19)22-4-2/h3,5-6,8-9H,1,4,7H2,2H3,(H,16,17)/p+1