8-nitro-2-[(5-nitro-2-oxidanyl-phenyl)amino]-4-undecyl-phenoxazin-3-one

Systemtic Name: 8-nitro-2-[(5-nitro-2-oxidanyl-phenyl)amino]-4-undecyl-phenoxazin-3-one Openeye Name: 2-(2-hydroxy-5-nitro-anilino)-8-nitro-4-undecyl-phenoxazin-3-one CAS Name: 2-(2-hydroxy-5-nitroanilino)-8-nitro-4-undecyl-3-phenoxazinone IUPAC Name: 2-(2-hydroxy-5-nitroanilino)-8-nitro-4-undecylphenoxazin-3-one Traditional Name: 2-(2-hydroxy-5-nitro-anilino)-8-nitro-4-undecyl-phenoxazin-3-one Formula: C29H32N4O7 MolecularWeight: 548.58698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C2C(=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])C=C(C1=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCC1=C2C(=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])C=C(C1=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C29H32N4O7/c1-2-3-4-5-6-7-8-9-10-11-21-28(35)24(30-22-16-19(32(36)37)12-14-26(22)34)18-25-29(21)40-27-15-13-20(33(38)39)17-23(27)31-25/h12-18,30,34H,2-11H2,1H3