[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [(1R)-2-amino-2-oxo-1-phenyl-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [(1R)-2-amino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-amino-2-oxo-1-phenylethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [(1R)-2-amino-2-keto-1-phenyl-ethyl] ester Formula: C17H13ClN2O5 MolecularWeight: 360.74852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)N)OC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN2O5/c18-13-8-6-11(10-14(13)20(23)24)7-9-15(21)25-16(17(19)22)12-4-2-1-3-5-12/h1-10,16H,(H2,19,22)/b9-7+/t16-/m1/s1