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

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

Systemtic Name:2-[[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]amino]-5-nitro-benzoic acid
Openeye Name:2-[4-[2-(3,4-dimethylphenyl)ethyl]anilino]-5-nitro-benzoic acid
CAS Name:2-[4-[2-(3,4-dimethylphenyl)ethyl]anilino]-5-nitrobenzoic acid
IUPAC Name:2-[4-[2-(3,4-dimethylphenyl)ethyl]anilino]-5-nitrobenzoic acid
Traditional Name:2-[4-[2-(3,4-dimethylphenyl)ethyl]anilino]-5-nitro-benzoic acid
Formula: C23H22N2O4
MolecularWeight: 390.43178
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O)C


Isomeric SMILES

CC1=C(C=C(C=C1)CCC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O)C


InChI

InChI=1S/C23H22N2O4/c1-15-3-4-18(13-16(15)2)6-5-17-7-9-19(10-8-17)24-22-12-11-20(25(28)29)14-21(22)23(26)27/h3-4,7-14,24H,5-6H2,1-2H3,(H,26,27)


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