1-[[2-chloranyl-4,4-dimethyl-2-(4-nitrophenoxy)-3-oxidanylidene-pentanoyl]amino]-3-(sulfinoamino)benzene

Systemtic Name: 1-[[2-chloranyl-4,4-dimethyl-2-(4-nitrophenoxy)-3-oxidanylidene-pentanoyl]amino]-3-(sulfinoamino)benzene Openeye Name: 1-[[2-chloro-4,4-dimethyl-2-(4-nitrophenoxy)-3-oxo-pentanoyl]amino]-3-(sulfinoamino)benzene CAS Name: 1-[[2-chloro-4,4-dimethyl-2-(4-nitrophenoxy)-1,3-dioxopentyl]amino]-3-(sulfinoamino)benzene IUPAC Name: 1-[[2-chloro-4,4-dimethyl-2-(4-nitrophenoxy)-3-oxopentanoyl]amino]-3-(sulfinoamino)benzene Traditional Name: 1-[[2-chloro-3-keto-4,4-dimethyl-2-(4-nitrophenoxy)pentanoyl]amino]-3-(sulfinoamino)benzene Formula: C19H20ClN3O7S MolecularWeight: 469.896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(=O)NC1=CC(=CC=C1)NS(=O)O)(OC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C(=O)C(C(=O)NC1=CC(=CC=C1)NS(=O)O)(OC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O7S/c1-18(2,3)16(24)19(20,30-15-9-7-14(8-10-15)23(26)27)17(25)21-12-5-4-6-13(11-12)22-31(28)29/h4-11,22H,1-3H3,(H,21,25)(H,28,29)