[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C13H11N5O5 MolecularWeight: 317.25694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C13H11N5O5/c14-12-11(15-4-5-16-12)13(20)23-7-10(19)17-8-2-1-3-9(6-8)18(21)22/h1-6H,7H2,(H2,14,16)(H,17,19)