methyl 2-[[2-(dipentylamino)-2,3-dihydro-1H-inden-5-yl]amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[2-(dipentylamino)-2,3-dihydro-1H-inden-5-yl]amino]-5-nitro-benzoate Openeye Name: methyl 2-[[2-(dipentylamino)indan-5-yl]amino]-5-nitro-benzoate CAS Name: 2-[[2-(dipentylamino)-2,3-dihydro-1H-inden-5-yl]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(dipentylamino)-2,3-dihydro-1H-inden-5-yl]amino]-5-nitrobenzoate Traditional Name: 2-[[2-(diamylamino)indan-5-yl]amino]-5-nitro-benzoic acid methyl ester Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C1CC2=C(C1)C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCCN(CCCCC)C1CC2=C(C1)C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H37N3O4/c1-4-6-8-14-29(15-9-7-5-2)24-17-20-10-11-22(16-21(20)18-24)28-26-13-12-23(30(32)33)19-25(26)27(31)34-3/h10-13,16,19,24,28H,4-9,14-15,17-18H2,1-3H3