2-[[3-(carboxymethylamino)-5-(hydroxymethyl)-2-methoxy-cyclohexa-2,5-dien-1-ylidene]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[3-(carboxymethylamino)-5-(hydroxymethyl)-2-methoxy-cyclohexa-2,5-dien-1-ylidene]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[3-(carboxymethylamino)-5-(hydroxymethyl)-2-methoxy-cyclohexa-2,5-dien-1-ylidene]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[3-(carboxymethylamino)-5-(hydroxymethyl)-2-methoxy-1-cyclohexa-2,5-dienylidene]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[3-(carboxymethylamino)-5-(hydroxymethyl)-2-methoxycyclohexa-2,5-dien-1-ylidene]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[3-(carboxymethylamino)-2-methoxy-5-methylol-cyclohexa-2,5-dien-1-ylidene]amino]-3-hydroxy-propionic acid Formula: C13H18N2O7 MolecularWeight: 314.29122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(CC(=CC1=NC(CO)C(=O)O)CO)NCC(=O)O

Isomeric SMILES

COC1=C(CC(=CC1=NC(CO)C(=O)O)CO)NCC(=O)O

InChI

InChI=1S/C13H18N2O7/c1-22-12-8(14-4-11(18)19)2-7(5-16)3-9(12)15-10(6-17)13(20)21/h3,10,14,16-17H,2,4-6H2,1H3,(H,18,19)(H,20,21)