(5-chloranyl-6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-pentoxybenzoate

Systemtic Name: (5-chloranyl-6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-pentoxybenzoate Openeye Name: (5-chloro-6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid (5-chloro-6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) ester IUPAC Name: (5-chloro-6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid (5-chloro-6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) ester Formula: C25H27ClN2O5 MolecularWeight: 470.94528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2CCC3=C(C2)C4=C(C(=CC(=C4N3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2CCC3=C(C2)C4=C(C(=CC(=C4N3)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C25H27ClN2O5/c1-3-4-5-12-32-17-8-6-16(7-9-17)25(29)33-18-10-11-20-19(14-18)22-23(26)15(2)13-21(28(30)31)24(22)27-20/h6-9,13,18,27H,3-5,10-12,14H2,1-2H3