[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC(C)C2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC[C@@H](C)C2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O7/c1-4-29-19-10-16(17(23(26)27)11-18(19)28-3)21(25)30-13-20(24)22-12-14(2)15-8-6-5-7-9-15/h5-11,14H,4,12-13H2,1-3H3,(H,22,24)/t14-/m1/s1