1-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-5-nitro-isoquinoline

Systemtic Name: 1-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-5-nitro-isoquinoline Openeye Name: 1-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-5-nitro-isoquinoline CAS Name: 1-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-5-nitroisoquinoline IUPAC Name: 1-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-5-nitroisoquinoline Traditional Name: 1-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-5-nitro-isoquinoline Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(=CC2=NC=CC3=C2C=CC=C3[N+](=O)[O-])CO1)C

Isomeric SMILES

CC1(OCC(=CC2=NC=CC3=C2C=CC=C3[N+](=O)[O-])CO1)C

InChI

InChI=1S/C16H16N2O4/c1-16(2)21-9-11(10-22-16)8-14-12-4-3-5-15(18(19)20)13(12)6-7-17-14/h3-8H,9-10H2,1-2H3