[5-ethoxy-9-(3-methylbut-2-enyl)-8-nitro-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzoate

Systemtic Name: [5-ethoxy-9-(3-methylbut-2-enyl)-8-nitro-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzoate Openeye Name: [5-ethoxy-9-(3-methylbut-2-enyl)-8-nitro-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-ethoxy-9-(3-methylbut-2-enyl)-8-nitro-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [5-ethoxy-9-(3-methylbut-2-enyl)-8-nitro-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-ethoxy-9-(3-methylbut-2-enyl)-8-nitro-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C3=C(CCC(C3)OC(=O)C4=CC=C(C=C4)C)N(C2=C(C=C1)[N+](=O)[O-])CC=C(C)C

Isomeric SMILES

CCOC1=C2C3=C(CCC(C3)OC(=O)C4=CC=C(C=C4)C)N(C2=C(C=C1)[N+](=O)[O-])CC=C(C)C

InChI

InChI=1S/C27H30N2O5/c1-5-33-24-13-12-23(29(31)32)26-25(24)21-16-20(10-11-22(21)28(26)15-14-17(2)3)34-27(30)19-8-6-18(4)7-9-19/h6-9,12-14,20H,5,10-11,15-16H2,1-4H3