ethyl 3-methyl-2-oxidanidyl-12-oxidanylidene-7H-naphtho[2,3-h]isoquinolin-2-ium-1-carboxylate

Systemtic Name: ethyl 3-methyl-2-oxidanidyl-12-oxidanylidene-7H-naphtho[2,3-h]isoquinolin-2-ium-1-carboxylate Openeye Name: ethyl 3-methyl-2-oxido-12-oxo-7H-naphtho[2,3-h]isoquinolin-2-ium-1-carboxylate CAS Name: 3-methyl-2-oxido-12-oxo-7H-naphtho[2,3-h]isoquinolin-2-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-oxido-12-oxo-7H-naphtho[2,3-h]isoquinolin-2-ium-1-carboxylate Traditional Name: 12-keto-3-methyl-2-oxido-7H-naphth[2,3-h]isoquinolin-2-ium-1-carboxylic acid ethyl ester Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC(=[N+]1[O-])C)C=CC3=C2C(=O)C4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C2C(=CC(=[N+]1[O-])C)C=CC3=C2C(=O)C4=CC=CC=C4C3

InChI

InChI=1S/C21H17NO4/c1-3-26-21(24)19-17-14(10-12(2)22(19)25)8-9-15-11-13-6-4-5-7-16(13)20(23)18(15)17/h4-10H,3,11H2,1-2H3