[(E)-(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] adamantane-1-carboxylate

Systemtic Name: [(E)-(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] adamantane-1-carboxylate Openeye Name: [(E)-(6-methoxy-5-nitro-tetralin-1-ylidene)amino] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(E)-(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] ester IUPAC Name: [(E)-(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(E)-(6-methoxy-5-nitro-tetralin-1-ylidene)amino] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=NOC(=O)C34CC5CC(C3)CC(C5)C4)CCC2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=C(C=C1)/C(=N/OC(=O)C34CC5CC(C3)CC(C5)C4)/CCC2)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O5/c1-28-19-6-5-16-17(20(19)24(26)27)3-2-4-18(16)23-29-21(25)22-10-13-7-14(11-22)9-15(8-13)12-22/h5-6,13-15H,2-4,7-12H2,1H3/b23-18+