[1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: (2-indan-5-yl-1-methyl-2-oxo-ethyl) 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-indan-5-yl-2-keto-1-methyl-ethyl) ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c1-11(18(22)14-6-5-12-3-2-4-13(12)9-14)26-19(23)15-7-8-16(20)17(10-15)21(24)25/h5-11H,2-4,20H2,1H3