ethyl 2-[4-[[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxymethyl]piperidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxymethyl]piperidin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxymethyl]-1-piperidyl]acetate CAS Name: 2-[4-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxymethyl]-1-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate Traditional Name: 2-[4-[[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxymethyl]piperidino]acetic acid ethyl ester Formula: C24H26BrN5O5 MolecularWeight: 544.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C24H26BrN5O5/c1-2-34-23(31)13-29-8-6-16(7-9-29)14-35-22-12-20-19(11-21(22)30(32)33)24(27-15-26-20)28-18-5-3-4-17(25)10-18/h3-5,10-12,15-16H,2,6-9,13-14H2,1H3,(H,26,27,28)