methyl 3-[[3,4-bis(oxidanyl)phenyl]methylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[3,4-bis(oxidanyl)phenyl]methylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(3,4-dihydroxyphenyl)methylamino]-4-methyl-benzoate CAS Name: 3-[(3,4-dihydroxyphenyl)methylamino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(3,4-dihydroxyphenyl)methylamino]-4-methylbenzoate Traditional Name: 4-methyl-3-(protocatechuylamino)benzoic acid methyl ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NCC2=CC(=C(C=C2)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C16H17NO4/c1-10-3-5-12(16(20)21-2)8-13(10)17-9-11-4-6-14(18)15(19)7-11/h3-8,17-19H,9H2,1-2H3