4-[(2S)-4-butyl-2-[(4-methylphenyl)methyl]-3-oxidanylidene-2H-pyrazin-1-yl]-3-nitro-benzoic acid

Systemtic Name: 4-[(2S)-4-butyl-2-[(4-methylphenyl)methyl]-3-oxidanylidene-2H-pyrazin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-[(2S)-4-butyl-3-oxo-2-(p-tolylmethyl)-2H-pyrazin-1-yl]-3-nitro-benzoic acid CAS Name: 4-[(2S)-4-butyl-2-[(4-methylphenyl)methyl]-3-oxo-2H-pyrazin-1-yl]-3-nitrobenzoic acid IUPAC Name: 4-[(2S)-4-butyl-2-[(4-methylphenyl)methyl]-3-oxo-2H-pyrazin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-[(2S)-4-butyl-3-keto-2-(4-methylbenzyl)-2H-pyrazin-1-yl]-3-nitro-benzoic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CN(C(C1=O)CC2=CC=C(C=C2)C)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C=CN([C@H](C1=O)CC2=CC=C(C=C2)C)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5/c1-3-4-11-24-12-13-25(19-10-9-18(23(28)29)15-20(19)26(30)31)21(22(24)27)14-17-7-5-16(2)6-8-17/h5-10,12-13,15,21H,3-4,11,14H2,1-2H3,(H,28,29)/t21-/m0/s1