4-(5,5-dimethyl-2-thiophen-2-yl-1,3-dioxan-2-yl)-2-nitro-aniline

Systemtic Name: 4-(5,5-dimethyl-2-thiophen-2-yl-1,3-dioxan-2-yl)-2-nitro-aniline Openeye Name: 4-[5,5-dimethyl-2-(2-thienyl)-1,3-dioxan-2-yl]-2-nitro-aniline CAS Name: 4-(5,5-dimethyl-2-thiophen-2-yl-1,3-dioxan-2-yl)-2-nitroaniline IUPAC Name: 4-(5,5-dimethyl-2-thiophen-2-yl-1,3-dioxan-2-yl)-2-nitroaniline Traditional Name: [4-[5,5-dimethyl-2-(2-thienyl)-1,3-dioxan-2-yl]-2-nitro-phenyl]amine Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)(C2=CC(=C(C=C2)N)[N+](=O)[O-])C3=CC=CS3)C

Isomeric SMILES

CC1(COC(OC1)(C2=CC(=C(C=C2)N)[N+](=O)[O-])C3=CC=CS3)C

InChI

InChI=1S/C16H18N2O4S/c1-15(2)9-21-16(22-10-15,14-4-3-7-23-14)11-5-6-12(17)13(8-11)18(19)20/h3-8H,9-10,17H2,1-2H3