7-[(3,4-dimethylphenyl)methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid

Systemtic Name: 7-[(3,4-dimethylphenyl)methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Openeye Name: 7-[(3,4-dimethylphenyl)methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid CAS Name: 7-[(3,4-dimethylphenyl)methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid IUPAC Name: 7-[(3,4-dimethylphenyl)methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Traditional Name: 7-(3,4-dimethylbenzyl)-3-nitro-10H-phenoxazine-1-carboxylic acid Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CC3=C(C=C2)NC4=C(O3)C=C(C=C4C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CC3=C(C=C2)NC4=C(O3)C=C(C=C4C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C22H18N2O5/c1-12-3-4-14(7-13(12)2)8-15-5-6-18-19(9-15)29-20-11-16(24(27)28)10-17(22(25)26)21(20)23-18/h3-7,9-11,23H,8H2,1-2H3,(H,25,26)