2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(4-methoxy-1-cyclohexa-2,4-dienyl)ethyl ester IUPAC Name: 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl ester Formula: C16H16NO5+ MolecularWeight: 302.30194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CCC([C+]=C1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CCC([C+]=C1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16NO5/c1-21-15-8-2-12(3-9-15)10-11-22-16(18)13-4-6-14(7-5-13)17(19)20/h4-9,12H,2,10-11H2,1H3/q+1