(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl) 4-nitrobenzoate

Systemtic Name: (4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl) 4-nitrobenzoate Openeye Name: (4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl) ester IUPAC Name: (4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl) ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCCC1=CC(CC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC12CCCCC1=CC(CC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21NO4/c1-18-10-3-2-4-14(18)12-16(9-11-18)23-17(20)13-5-7-15(8-6-13)19(21)22/h5-8,12,16H,2-4,9-11H2,1H3