4-[(4-tert-butylphenyl)amino]-1-(cyclohexylamino)-6-nitro-anthracene-9,10-dione

Systemtic Name: 4-[(4-tert-butylphenyl)amino]-1-(cyclohexylamino)-6-nitro-anthracene-9,10-dione Openeye Name: 4-(4-tert-butylanilino)-1-(cyclohexylamino)-6-nitro-anthracene-9,10-dione CAS Name: 4-(4-tert-butylanilino)-1-(cyclohexylamino)-6-nitroanthracene-9,10-dione IUPAC Name: 4-(4-tert-butylanilino)-1-(cyclohexylamino)-6-nitroanthracene-9,10-dione Traditional Name: 4-(4-tert-butylanilino)-1-(cyclohexylamino)-6-nitro-9,10-anthraquinone Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4CCCCC4)C(=O)C5=C(C3=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4CCCCC4)C(=O)C5=C(C3=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H31N3O4/c1-30(2,3)18-9-11-20(12-10-18)32-25-16-15-24(31-19-7-5-4-6-8-19)26-27(25)29(35)23-17-21(33(36)37)13-14-22(23)28(26)34/h9-17,19,31-32H,4-8H2,1-3H3