tert-butyl 6-[(2-azanyl-5-nitro-phenyl)carbonylamino]indole-1-carboxylate

Systemtic Name: tert-butyl 6-[(2-azanyl-5-nitro-phenyl)carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[(2-amino-5-nitro-benzoyl)amino]indole-1-carboxylate CAS Name: 6-[[(2-amino-5-nitrophenyl)-oxomethyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(2-amino-5-nitrobenzoyl)amino]indole-1-carboxylate Traditional Name: 6-[(2-amino-5-nitro-benzoyl)amino]indole-1-carboxylic acid tert-butyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C20H20N4O5/c1-20(2,3)29-19(26)23-9-8-12-4-5-13(10-17(12)23)22-18(25)15-11-14(24(27)28)6-7-16(15)21/h4-11H,21H2,1-3H3,(H,22,25)