3-[2-[(3-chlorophenyl)methyl]butanoylamino]-4-(1-nitroethyl)benzoic acid

Systemtic Name: 3-[2-[(3-chlorophenyl)methyl]butanoylamino]-4-(1-nitroethyl)benzoic acid Openeye Name: 3-[2-[(3-chlorophenyl)methyl]butanoylamino]-4-(1-nitroethyl)benzoic acid CAS Name: 3-[[2-[(3-chlorophenyl)methyl]-1-oxobutyl]amino]-4-(1-nitroethyl)benzoic acid IUPAC Name: 3-[2-[(3-chlorophenyl)methyl]butanoylamino]-4-(1-nitroethyl)benzoic acid Traditional Name: 3-[2-(3-chlorobenzyl)butanoylamino]-4-(1-nitroethyl)benzoic acid Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)Cl)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(C)[N+](=O)[O-]

Isomeric SMILES

CCC(CC1=CC(=CC=C1)Cl)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(C)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O5/c1-3-14(9-13-5-4-6-16(21)10-13)19(24)22-18-11-15(20(25)26)7-8-17(18)12(2)23(27)28/h4-8,10-12,14H,3,9H2,1-2H3,(H,22,24)(H,25,26)