methyl 2-[[[(2S)-2-(4-methyl-2-nitro-phenoxy)propanoyl]amino]carbamoylamino]benzoate

Systemtic Name: methyl 2-[[[(2S)-2-(4-methyl-2-nitro-phenoxy)propanoyl]amino]carbamoylamino]benzoate Openeye Name: methyl 2-[[[(2S)-2-(4-methyl-2-nitro-phenoxy)propanoyl]amino]carbamoylamino]benzoate CAS Name: 2-[[[[(2S)-2-(4-methyl-2-nitrophenoxy)-1-oxopropyl]hydrazo]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[[(2S)-2-(4-methyl-2-nitrophenoxy)propanoyl]amino]carbamoylamino]benzoate Traditional Name: 2-[[[(2S)-2-(4-methyl-2-nitro-phenoxy)propanoyl]amino]carbamoylamino]benzoic acid methyl ester Formula: C19H20N4O7 MolecularWeight: 416.3847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)NNC(=O)NC2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)O[C@@H](C)C(=O)NNC(=O)NC2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O7/c1-11-8-9-16(15(10-11)23(27)28)30-12(2)17(24)21-22-19(26)20-14-7-5-4-6-13(14)18(25)29-3/h4-10,12H,1-3H3,(H,21,24)(H2,20,22,26)/t12-/m0/s1