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

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

Systemtic Name:4-[3-(2-chlorophenyl)propanoylamino]-3-(1-nitroethyl)benzoic acid
Openeye Name:4-[3-(2-chlorophenyl)propanoylamino]-3-(1-nitroethyl)benzoic acid
CAS Name:4-[[3-(2-chlorophenyl)-1-oxopropyl]amino]-3-(1-nitroethyl)benzoic acid
IUPAC Name:4-[3-(2-chlorophenyl)propanoylamino]-3-(1-nitroethyl)benzoic acid
Traditional Name:4-[3-(2-chlorophenyl)propanoylamino]-3-(1-nitroethyl)benzoic acid
Formula: C18H17ClN2O5
MolecularWeight: 376.79098
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)C(=O)O)NC(=O)CCC2=CC=CC=C2Cl)[N+](=O)[O-]


Isomeric SMILES

CC(C1=C(C=CC(=C1)C(=O)O)NC(=O)CCC2=CC=CC=C2Cl)[N+](=O)[O-]


InChI

InChI=1S/C18H17ClN2O5/c1-11(21(25)26)14-10-13(18(23)24)6-8-16(14)20-17(22)9-7-12-4-2-3-5-15(12)19/h2-6,8,10-11H,7,9H2,1H3,(H,20,22)(H,23,24)


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