(1-methyl-3-nitro-5,6,7,8-tetrahydronaphthalen-2-yl) benzoate

Systemtic Name: (1-methyl-3-nitro-5,6,7,8-tetrahydronaphthalen-2-yl) benzoate Openeye Name: (5-methyl-7-nitro-tetralin-6-yl) benzoate CAS Name: benzoic acid (1-methyl-3-nitro-5,6,7,8-tetrahydronaphthalen-2-yl) ester IUPAC Name: (1-methyl-3-nitro-5,6,7,8-tetrahydronaphthalen-2-yl) benzoate Traditional Name: benzoic acid (5-methyl-7-nitro-tetralin-6-yl) ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=CC(=C1OC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2CCCCC2=CC(=C1OC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO4/c1-12-15-10-6-5-9-14(15)11-16(19(21)22)17(12)23-18(20)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3