tert-butyl 4-[4-[(4-ethoxycarbonylphenyl)methylamino]-6-nitro-quinazolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-ethoxycarbonylphenyl)methylamino]-6-nitro-quinazolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-ethoxycarbonylphenyl)methylamino]-6-nitro-quinazolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[4-[(4-ethoxycarbonylphenyl)methylamino]-6-nitro-7-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-ethoxycarbonylphenyl)methylamino]-6-nitroquinazolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-carbethoxybenzyl)amino]-6-nitro-quinazolin-7-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H32N6O6 MolecularWeight: 536.57958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H32N6O6/c1-5-38-25(34)19-8-6-18(7-9-19)16-28-24-20-14-23(33(36)37)22(15-21(20)29-17-30-24)31-10-12-32(13-11-31)26(35)39-27(2,3)4/h6-9,14-15,17H,5,10-13,16H2,1-4H3,(H,28,29,30)