[2-oxidanylidene-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(1S)-tetralin-1-yl]amino]ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-[[(1S)-tetralin-1-yl]amino]ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCC3=CC=CC=C23)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@H]2CCCC3=CC=CC=C23)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-2-28-19-11-10-15(12-18(19)23(26)27)21(25)29-13-20(24)22-17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,10-12,17H,2,5,7,9,13H2,1H3,(H,22,24)/t17-/m0/s1