2-(2,3-dihydro-1H-inden-5-ylamino)-3-nitro-benzoic acid

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylamino)-3-nitro-benzoic acid Openeye Name: 2-(indan-5-ylamino)-3-nitro-benzoic acid CAS Name: 2-(2,3-dihydro-1H-inden-5-ylamino)-3-nitrobenzoic acid IUPAC Name: 2-(2,3-dihydro-1H-inden-5-ylamino)-3-nitrobenzoic acid Traditional Name: 2-(indan-5-ylamino)-3-nitro-benzoic acid Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H14N2O4/c19-16(20)13-5-2-6-14(18(21)22)15(13)17-12-8-7-10-3-1-4-11(10)9-12/h2,5-9,17H,1,3-4H2,(H,19,20)