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

Systemtic Name: 4-(5,5-dimethyl-2-phenyl-1,3-dioxan-2-yl)-2-nitro-aniline Openeye Name: 4-(5,5-dimethyl-2-phenyl-1,3-dioxan-2-yl)-2-nitro-aniline CAS Name: 4-(5,5-dimethyl-2-phenyl-1,3-dioxan-2-yl)-2-nitroaniline IUPAC Name: 4-(5,5-dimethyl-2-phenyl-1,3-dioxan-2-yl)-2-nitroaniline Traditional Name: [4-(5,5-dimethyl-2-phenyl-1,3-dioxan-2-yl)-2-nitro-phenyl]amine Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-17(2)11-23-18(24-12-17,13-6-4-3-5-7-13)14-8-9-15(19)16(10-14)20(21)22/h3-10H,11-12,19H2,1-2H3