phenyl 6-(aminomethyl)-2-oxidanylidene-chromene-3-carboxylate hydrochloride

Systemtic Name: phenyl 6-(aminomethyl)-2-oxidanylidene-chromene-3-carboxylate hydrochloride Openeye Name: phenyl 6-(aminomethyl)-2-oxo-chromene-3-carboxylate hydrochloride CAS Name: 6-(aminomethyl)-2-oxo-1-benzopyran-3-carboxylic acid phenyl ester hydrochloride IUPAC Name: phenyl 6-(aminomethyl)-2-oxochromene-3-carboxylate hydrochloride Traditional Name: 6-(aminomethyl)-2-keto-chromene-3-carboxylic acid phenyl ester hydrochloride Formula: C17H14ClNO4 MolecularWeight: 331.75036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)CN)OC2=O.Cl

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)CN)OC2=O.Cl

InChI

InChI=1S/C17H13NO4.ClH/c18-10-11-6-7-15-12(8-11)9-14(17(20)22-15)16(19)21-13-4-2-1-3-5-13;/h1-9H,10,18H2;1H