3-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]-2-(naphthalen-1-ylsulfonylamino)propanoate

Systemtic Name: 3-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]-2-(naphthalen-1-ylsulfonylamino)propanoate Openeye Name: 3-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]-2-(1-naphthylsulfonylamino)propanoate CAS Name: 3-[(6-chloro-5-nitro-4-pyrimidinyl)amino]-2-(1-naphthalenylsulfonylamino)propanoate IUPAC Name: 3-[(6-chloro-5-nitropyrimidin-4-yl)amino]-2-(naphthalen-1-ylsulfonylamino)propanoate Traditional Name: 3-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]-2-(1-naphthylsulfonylamino)propionate Formula: C17H13ClN5O6S- MolecularWeight: 450.83302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CNC3=C(C(=NC=N3)Cl)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC(CNC3=C(C(=NC=N3)Cl)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H14ClN5O6S/c18-15-14(23(26)27)16(21-9-20-15)19-8-12(17(24)25)22-30(28,29)13-7-3-5-10-4-1-2-6-11(10)13/h1-7,9,12,22H,8H2,(H,24,25)(H,19,20,21)/p-1