(3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 3-methylbenzoate

Systemtic Name: (3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 3-methylbenzoate Openeye Name: (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid (3-acetyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)C)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)C)[O-]

InChI

InChI=1S/C20H18N2O5/c1-12-5-4-6-14(9-12)20(24)27-11-17-19(13(2)23)22(25)18-10-15(26-3)7-8-16(18)21-17/h4-10H,11H2,1-3H3