(3-nitrophenyl) 2-azanyl-4-(4-methyl-1,4-diazepan-1-yl)benzoate

Systemtic Name: (3-nitrophenyl) 2-azanyl-4-(4-methyl-1,4-diazepan-1-yl)benzoate Openeye Name: (3-nitrophenyl) 2-amino-4-(4-methyl-1,4-diazepan-1-yl)benzoate CAS Name: 2-amino-4-(4-methyl-1,4-diazepan-1-yl)benzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-amino-4-(4-methyl-1,4-diazepan-1-yl)benzoate Traditional Name: 2-amino-4-(4-methyl-1,4-diazepan-1-yl)benzoic acid (3-nitrophenyl) ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CN1CCCN(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H22N4O4/c1-21-8-3-9-22(11-10-21)14-6-7-17(18(20)13-14)19(24)27-16-5-2-4-15(12-16)23(25)26/h2,4-7,12-13H,3,8-11,20H2,1H3