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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (2-oxo-2-ureido-ethyl) (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid (2-keto-2-ureido-ethyl) ester Formula: C12H10ClN3O6 MolecularWeight: 327.6773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)OCC(=O)NC(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)OCC(=O)NC(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H10ClN3O6/c13-8-3-1-7(5-9(8)16(20)21)2-4-11(18)22-6-10(17)15-12(14)19/h1-5H,6H2,(H3,14,15,17,19)/b4-2+