2-[[(2S)-2-[(4-nitrophenyl)methyl]-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(2S)-2-[(4-nitrophenyl)methyl]-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[(1S)-1-carboxy-1-[(4-nitrophenyl)methyl]propyl]carbamoyl]benzoic acid CAS Name: 2-[[[(2S)-1-hydroxy-2-[(4-nitrophenyl)methyl]-1-oxobutan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(2S)-1-hydroxy-2-[(4-nitrophenyl)methyl]-1-oxobutan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[(1S)-1-carboxy-1-(4-nitrobenzyl)propyl]carbamoyl]benzoic acid Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)O)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC[C@](CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)O)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H18N2O7/c1-2-19(18(25)26,11-12-7-9-13(10-8-12)21(27)28)20-16(22)14-5-3-4-6-15(14)17(23)24/h3-10H,2,11H2,1H3,(H,20,22)(H,23,24)(H,25,26)/t19-/m0/s1