4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1]benzazepin-12-yl)benzoic acid

Systemtic Name: 4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1]benzazepin-12-yl)benzoic acid Openeye Name: 4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1]benzazepin-12-yl)benzoic acid CAS Name: 4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1]benzazepin-12-yl)benzoic acid IUPAC Name: 4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1]benzazepin-12-yl)benzoic acid Traditional Name: 4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1]benzazepin-12-yl)benzoic acid Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=C3C(=CC4=C(C=CC(=C4)[N+](=O)[O-])N(C3=C2)C)C5=CC=C(C=C5)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=C3C(=CC4=C(C=CC(=C4)[N+](=O)[O-])N(C3=C2)C)C5=CC=C(C=C5)C(=O)O)(C)C)C

InChI

InChI=1S/C30H30N2O4/c1-29(2)12-13-30(3,4)25-17-27-23(16-24(25)29)22(18-6-8-19(9-7-18)28(33)34)15-20-14-21(32(35)36)10-11-26(20)31(27)5/h6-11,14-17H,12-13H2,1-5H3,(H,33,34)