[4-[2-[(3,5-dinitrophenyl)carbonylamino]-3-ethoxy-3-oxidanylidene-propyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [4-[2-[(3,5-dinitrophenyl)carbonylamino]-3-ethoxy-3-oxidanylidene-propyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [4-[2-[(3,5-dinitrobenzoyl)amino]-3-ethoxy-3-oxo-propyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-ethoxy-3-oxopropyl]phenyl] ester IUPAC Name: [4-[2-[(3,5-dinitrobenzoyl)amino]-3-ethoxy-3-oxopropyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-[2-[(3,5-dinitrobenzoyl)amino]-3-ethoxy-3-keto-propyl]phenyl] ester Formula: C25H19N5O13 MolecularWeight: 597.44406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H19N5O13/c1-2-42-25(33)22(26-23(31)15-8-17(27(34)35)12-18(9-15)28(36)37)7-14-3-5-21(6-4-14)43-24(32)16-10-19(29(38)39)13-20(11-16)30(40)41/h3-6,8-13,22H,2,7H2,1H3,(H,26,31)