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

Systemtic Name: (1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl) 3-nitrobenzoate Openeye Name: (5-methyltetralin-6-yl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl) ester IUPAC Name: (1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (5-methyltetralin-6-yl) ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1CCCC2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1CCCC2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO4/c1-12-16-8-3-2-5-13(16)9-10-17(12)23-18(20)14-6-4-7-15(11-14)19(21)22/h4,6-7,9-11H,2-3,5,8H2,1H3