methyl 4-[[(3-chloranylpyrazin-2-yl)-(2-nitrophenyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-chloranylpyrazin-2-yl)-(2-nitrophenyl)amino]methyl]benzoate Openeye Name: methyl 4-[(N-(3-chloropyrazin-2-yl)-2-nitro-anilino)methyl]benzoate CAS Name: 4-[(N-(3-chloro-2-pyrazinyl)-2-nitroanilino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(N-(3-chloropyrazin-2-yl)-2-nitroanilino)methyl]benzoate Traditional Name: 4-[(N-(3-chloropyrazin-2-yl)-2-nitro-anilino)methyl]benzoic acid methyl ester Formula: C19H15ClN4O4 MolecularWeight: 398.7998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2=CC=CC=C2[N+](=O)[O-])C3=NC=CN=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2=CC=CC=C2[N+](=O)[O-])C3=NC=CN=C3Cl

InChI

InChI=1S/C19H15ClN4O4/c1-28-19(25)14-8-6-13(7-9-14)12-23(18-17(20)21-10-11-22-18)15-4-2-3-5-16(15)24(26)27/h2-11H,12H2,1H3