[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C17H19N3O3/c1-2-3-4-13-5-7-14(8-6-13)20-16(21)12-23-17(22)15-11-18-9-10-19-15/h5-11H,2-4,12H2,1H3,(H,20,21)