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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C14H13ClN2O5 MolecularWeight: 324.71642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN2O5/c15-11-5-1-9(7-12(11)17(20)21)2-6-14(19)22-8-13(18)16-10-3-4-10/h1-2,5-7,10H,3-4,8H2,(H,16,18)/b6-2+