3-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: 3-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: 2-(benzyloxycarbonylamino)-3-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]propanoate CAS Name: 3-[(6-chloro-5-nitro-4-pyrimidinyl)amino]-2-(phenylmethoxycarbonylamino)propanoate IUPAC Name: 3-[(6-chloro-5-nitropyrimidin-4-yl)amino]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]propionate Formula: C15H13ClN5O6- MolecularWeight: 394.74662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CNC2=C(C(=NC=N2)Cl)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CNC2=C(C(=NC=N2)Cl)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H14ClN5O6/c16-12-11(21(25)26)13(19-8-18-12)17-6-10(14(22)23)20-15(24)27-7-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,20,24)(H,22,23)(H,17,18,19)/p-1