4-[5-methyl-2,4-bis[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[5-methyl-2,4-bis[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[5-methyl-2,4-bis[(3-nitrobenzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[5-methyl-2,4-bis[[(3-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[5-methyl-2,4-bis[(3-nitrobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[5-methyl-2,4-bis[(3-nitrobenzoyl)amino]phenoxy]phthalic acid Formula: C29H20N4O11 MolecularWeight: 600.4893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC4=CC(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C29H20N4O11/c1-15-10-25(44-20-8-9-21(28(36)37)22(13-20)29(38)39)24(31-27(35)17-5-3-7-19(12-17)33(42)43)14-23(15)30-26(34)16-4-2-6-18(11-16)32(40)41/h2-14H,1H3,(H,30,34)(H,31,35)(H,36,37)(H,38,39)