3-[(4-chloranyl-2-nitro-phenyl)-methyl-amino]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(4-chloranyl-2-nitro-phenyl)-methyl-amino]pyrazine-2-carboxylic acid Openeye Name: 3-(4-chloro-N-methyl-2-nitro-anilino)pyrazine-2-carboxylic acid CAS Name: 3-(4-chloro-N-methyl-2-nitroanilino)-2-pyrazinecarboxylic acid IUPAC Name: 3-(4-chloro-N-methyl-2-nitroanilino)pyrazine-2-carboxylic acid Traditional Name: 3-(4-chloro-N-methyl-2-nitro-anilino)pyrazinoic acid Formula: C12H9ClN4O4 MolecularWeight: 308.67726

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])C2=NC=CN=C2C(=O)O

Isomeric SMILES

CN(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C12H9ClN4O4/c1-16(11-10(12(18)19)14-4-5-15-11)8-3-2-7(13)6-9(8)17(20)21/h2-6H,1H3,(H,18,19)