ethyl 2-[3-(dimethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]-4-nitro-benzoate

Systemtic Name: ethyl 2-[3-(dimethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]-4-nitro-benzoate Openeye Name: ethyl 2-[3-(dimethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]-4-nitro-benzoate CAS Name: 2-[3-(dimethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[3-(dimethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]-4-nitrobenzoate Traditional Name: 2-[3-(dimethylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]-4-nitro-benzoic acid ethyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(CC(CC3)N(C)C)C4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(CC(CC3)N(C)C)C4=CC=CC=C42

InChI

InChI=1S/C23H25N3O4/c1-4-30-23(27)18-11-9-16(26(28)29)14-22(18)25-20-8-6-5-7-17(20)19-13-15(24(2)3)10-12-21(19)25/h5-9,11,14-15H,4,10,12-13H2,1-3H3