methyl N-[3-[(3,6-dinitroacridin-9-yl)amino]-5-(hydroxymethyl)phenyl]carbamate

Systemtic Name: methyl N-[3-[(3,6-dinitroacridin-9-yl)amino]-5-(hydroxymethyl)phenyl]carbamate Openeye Name: methyl N-[3-[(3,6-dinitroacridin-9-yl)amino]-5-(hydroxymethyl)phenyl]carbamate CAS Name: N-[3-[(3,6-dinitro-9-acridinyl)amino]-5-(hydroxymethyl)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[(3,6-dinitroacridin-9-yl)amino]-5-(hydroxymethyl)phenyl]carbamate Traditional Name: N-[3-[(3,6-dinitroacridin-9-yl)amino]-5-methylol-phenyl]carbamic acid methyl ester Formula: C22H17N5O7 MolecularWeight: 463.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])CO

Isomeric SMILES

COC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])CO

InChI

InChI=1S/C22H17N5O7/c1-34-22(29)24-14-7-12(11-28)6-13(8-14)23-21-17-4-2-15(26(30)31)9-19(17)25-20-10-16(27(32)33)3-5-18(20)21/h2-10,28H,11H2,1H3,(H,23,25)(H,24,29)