tert-butyl 2-[(5-nitro-6-phenylazanyl-pyridin-2-yl)-phenyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[(5-nitro-6-phenylazanyl-pyridin-2-yl)-phenyl-amino]ethanoate Openeye Name: tert-butyl 2-(N-(6-anilino-5-nitro-2-pyridyl)anilino)acetate CAS Name: 2-(N-(6-anilino-5-nitro-2-pyridinyl)anilino)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(N-(6-anilino-5-nitropyridin-2-yl)anilino)acetate Traditional Name: 2-(N-(6-anilino-5-nitro-2-pyridyl)anilino)acetic acid tert-butyl ester Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C1=CC=CC=C1)C2=NC(=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN(C1=CC=CC=C1)C2=NC(=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C23H24N4O4/c1-23(2,3)31-21(28)16-26(18-12-8-5-9-13-18)20-15-14-19(27(29)30)22(25-20)24-17-10-6-4-7-11-17/h4-15H,16H2,1-3H3,(H,24,25)