(3S)-3-(aminocarbonylamino)-3-(2-chloranyl-5-nitro-phenyl)propanoate

Systemtic Name: (3S)-3-(aminocarbonylamino)-3-(2-chloranyl-5-nitro-phenyl)propanoate Openeye Name: (3S)-3-(2-chloro-5-nitro-phenyl)-3-ureido-propanoate CAS Name: (3S)-3-(carbamoylamino)-3-(2-chloro-5-nitrophenyl)propanoate IUPAC Name: (3S)-3-(carbamoylamino)-3-(2-chloro-5-nitrophenyl)propanoate Traditional Name: (3S)-3-(2-chloro-5-nitro-phenyl)-3-ureido-propionate Formula: C10H9ClN3O5- MolecularWeight: 286.64856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10ClN3O5/c11-7-2-1-5(14(18)19)3-6(7)8(4-9(15)16)13-10(12)17/h1-3,8H,4H2,(H,15,16)(H3,12,13,17)/p-1/t8-/m0/s1