7-methoxy-10-[[(3-nitrophenyl)amino]methyl]phenothiazine-1-carboxylic acid

Systemtic Name: 7-methoxy-10-[[(3-nitrophenyl)amino]methyl]phenothiazine-1-carboxylic acid Openeye Name: 7-methoxy-10-[(3-nitroanilino)methyl]phenothiazine-1-carboxylic acid CAS Name: 7-methoxy-10-[(3-nitroanilino)methyl]-1-phenothiazinecarboxylic acid IUPAC Name: 7-methoxy-10-[(3-nitroanilino)methyl]phenothiazine-1-carboxylic acid Traditional Name: 7-methoxy-10-[(3-nitroanilino)methyl]phenothiazine-1-carboxylic acid Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C3=C(C=CC=C3S2)C(=O)O)CNC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N(C3=C(C=CC=C3S2)C(=O)O)CNC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c1-29-15-8-9-17-19(11-15)30-18-7-3-6-16(21(25)26)20(18)23(17)12-22-13-4-2-5-14(10-13)24(27)28/h2-11,22H,12H2,1H3,(H,25,26)