(4S)-4-(methylcarbamoylamino)-3-nitro-4-(3,4,5-trimethoxyphenyl)but-2-en-2-olate

Systemtic Name: (4S)-4-(methylcarbamoylamino)-3-nitro-4-(3,4,5-trimethoxyphenyl)but-2-en-2-olate Openeye Name: (4S)-4-(methylcarbamoylamino)-3-nitro-4-(3,4,5-trimethoxyphenyl)but-2-en-2-olate CAS Name: (4S)-4-(methylcarbamoylamino)-3-nitro-4-(3,4,5-trimethoxyphenyl)-2-buten-2-olate IUPAC Name: (4S)-4-(methylcarbamoylamino)-3-nitro-4-(3,4,5-trimethoxyphenyl)but-2-en-2-olate Traditional Name: (4S)-4-(methylcarbamoylamino)-3-nitro-4-(3,4,5-trimethoxyphenyl)but-2-en-2-olate Formula: C15H20N3O7- MolecularWeight: 354.3352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O7/c1-8(19)13(18(21)22)12(17-15(20)16-2)9-6-10(23-3)14(25-5)11(7-9)24-4/h6-7,12,19H,1-5H3,(H2,16,17,20)/p-1/t12-/m0/s1