[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C13H10ClN5O5 MolecularWeight: 351.702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C13H10ClN5O5/c14-7-1-2-8(9(5-7)19(22)23)18-10(20)6-24-13(21)11-12(15)17-4-3-16-11/h1-5H,6H2,(H2,15,17)(H,18,20)