(4-aminocarbonyl-2-nitro-phenyl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C(=CC=C2)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C(=CC=C2)Cl

InChI

InChI=1S/C20H15ClN2O5S/c21-15-5-1-3-12-4-2-6-17(19(12)15)29-11-18(24)28-10-14-8-7-13(20(22)25)9-16(14)23(26)27/h1-9H,10-11H2,(H2,22,25)