2-[2-[(4-carboxyphenyl)methyl]pentanoylamino]-5-chloranyl-3-nitro-benzoic acid

Systemtic Name: 2-[2-[(4-carboxyphenyl)methyl]pentanoylamino]-5-chloranyl-3-nitro-benzoic acid Openeye Name: 2-[2-[(4-carboxyphenyl)methyl]pentanoylamino]-5-chloro-3-nitro-benzoic acid CAS Name: 2-[[2-[(4-carboxyphenyl)methyl]-1-oxopentyl]amino]-5-chloro-3-nitrobenzoic acid IUPAC Name: 2-[2-[(4-carboxyphenyl)methyl]pentanoylamino]-5-chloro-3-nitrobenzoic acid Traditional Name: 2-[2-(4-carboxybenzyl)pentanoylamino]-5-chloro-3-nitro-benzoic acid Formula: C20H19ClN2O7 MolecularWeight: 434.82706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C(=O)O)C(=O)NC2=C(C=C(C=C2C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C(=O)O)C(=O)NC2=C(C=C(C=C2C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O7/c1-2-3-13(8-11-4-6-12(7-5-11)19(25)26)18(24)22-17-15(20(27)28)9-14(21)10-16(17)23(29)30/h4-7,9-10,13H,2-3,8H2,1H3,(H,22,24)(H,25,26)(H,27,28)