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2-[[4-[2-(3-chlorophenyl)ethyl]phenyl]amino]-5-nitro-benzoic acid

2-[[4-[2-(3-chlorophenyl)ethyl]phenyl]amino]-5-nitro-benzoic acid

Systemtic Name:2-[[4-[2-(3-chlorophenyl)ethyl]phenyl]amino]-5-nitro-benzoic acid
Openeye Name:2-[4-[2-(3-chlorophenyl)ethyl]anilino]-5-nitro-benzoic acid
CAS Name:2-[4-[2-(3-chlorophenyl)ethyl]anilino]-5-nitrobenzoic acid
IUPAC Name:2-[4-[2-(3-chlorophenyl)ethyl]anilino]-5-nitrobenzoic acid
Traditional Name:2-[4-[2-(3-chlorophenyl)ethyl]anilino]-5-nitro-benzoic acid
Formula: C21H17ClN2O4
MolecularWeight: 396.82368
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CCC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O


Isomeric SMILES

C1=CC(=CC(=C1)Cl)CCC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C21H17ClN2O4/c22-16-3-1-2-15(12-16)5-4-14-6-8-17(9-7-14)23-20-11-10-18(24(27)28)13-19(20)21(25)26/h1-3,6-13,23H,4-5H2,(H,25,26)


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