[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-14-8-9-15-6-4-5-7-17(15)23(14)20(25)13-29-21(26)16-10-11-18(22(2)3)19(12-16)24(27)28/h4-7,10-12,14H,8-9,13H2,1-3H3/t14-/m0/s1