methyl 4-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethoxy]-3-nitro-benzoate CAS Name: 4-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethoxy]-3-nitrobenzoate Traditional Name: 4-[(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7/c1-3-20-19(25)21-17(23)16(12-7-5-4-6-8-12)29-15-10-9-13(18(24)28-2)11-14(15)22(26)27/h4-11,16H,3H2,1-2H3,(H2,20,21,23,25)/t16-/m0/s1