7-[3-(3,4-dichlorophenyl)propyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid

Systemtic Name: 7-[3-(3,4-dichlorophenyl)propyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid Openeye Name: 7-[3-(3,4-dichlorophenyl)propyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid CAS Name: 7-[3-(3,4-dichlorophenyl)propyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid IUPAC Name: 7-[3-(3,4-dichlorophenyl)propyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid Traditional Name: 7-[3-(3,4-dichlorophenyl)propyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid Formula: C26H18Cl2N2O5 MolecularWeight: 509.33752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=C(C=C2C(=C1)CCCC4=CC(=C(C=C4)Cl)Cl)OC5=C(N3)C(=CC(=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC2=CC3=C(C=C2C(=C1)CCCC4=CC(=C(C=C4)Cl)Cl)OC5=C(N3)C(=CC(=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H18Cl2N2O5/c27-20-8-7-14(9-21(20)28)3-1-4-15-5-2-6-16-10-22-23(13-18(15)16)35-24-12-17(30(33)34)11-19(26(31)32)25(24)29-22/h2,5-13,29H,1,3-4H2,(H,31,32)