methyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: methyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)cyclohexa-2,4-diene-1-carboxylate Openeye Name: methyl 2-(3-amino-6-imino-xanthen-9-yl)cyclohexa-2,4-diene-1-carboxylate CAS Name: 2-(3-amino-6-imino-9-xanthenyl)-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-amino-6-iminoxanthen-9-yl)cyclohexa-2,4-diene-1-carboxylate Traditional Name: 2-(3-amino-6-imino-xanthen-9-yl)cyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N

Isomeric SMILES

COC(=O)C1CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N

InChI

InChI=1S/C21H18N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-4,6-11,15,22H,5,23H2,1H3