3-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamoyl]pyrazinoic acid Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=O)C3=NC=CN=C3C(=O)O)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=O)C3=NC=CN=C3C(=O)O)CC2OC(=C1)O

InChI

InChI=1S/C16H15N3O5/c1-8-6-12(20)24-11-7-9(2-3-10(8)11)19-15(21)13-14(16(22)23)18-5-4-17-13/h4-6,11,20H,2-3,7H2,1H3,(H,22,23)