[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (1-allophanoyl-2-methyl-propyl) (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C15H16ClN3O6 MolecularWeight: 369.75704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O6/c1-8(2)13(14(21)18-15(17)22)25-12(20)6-4-9-3-5-10(16)11(7-9)19(23)24/h3-8,13H,1-2H3,(H3,17,18,21,22)/b6-4+